2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide

C10H12Cl2N2O2 — CID 169369656

IUPAC2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
SMILESCOc1cc(/N=C(/N)CCl)c(OC)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-15-8-4-7(14-10(13)5-11)9(16-2)3-6(8)12/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeyBGIMFIZWQSWVMB-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide

2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide (PubChem CID 169369656) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
PubChem CID169369656
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
SMILESCOc1cc(/N=C(/N)CCl)c(OC)cc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-15-8-4-7(14-10(13)5-11)9(16-2)3-6(8)12/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeyBGIMFIZWQSWVMB-UHFFFAOYSA-N
XLogP2.58
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
CID 62481867
4-[(1-amino-2-chloroethylidene)amino]-5-chloro-2-methoxybenzoic acid
CID 169365021
N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
CID 63174253
2-chloro-N'-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanimidamide
CID 169368516
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
CID 169367962
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
2-chloro-N'-[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]ethanimidamide
CID 169365601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide (CID 169369656) is 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide is COc1cc(/N=C(/N)CCl)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide?
The InChIKey is BGIMFIZWQSWVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-15-8-4-7(14-10(13)5-11)9(16-2)3-6(8)12/h3-4H,5H2,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide?
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide has a molecular weight of 263.12 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide is sourced from PubChem (CID 169369656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).